4IP0

X-Ray Structure of the Complex Uridine Phosphorylase from Vibrio cholerae with Phosphate Ion at 1.29 A Resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X13
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X13
Temperature [K]	100
Detector technology	CCD
Collection date	2012-05-13
Detector	MAR CCD 165 mm
Wavelength(s)	0.81
Spacegroup name	P 1
Unit cell lengths	63.671, 71.062, 87.908
Unit cell angles	69.63, 72.56, 85.73

Refinement procedure

Resolution	18.934 - 1.294
R-factor	0.1731
Rwork	0.172
R-free	0.19970
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.216
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER
Refinement software	PHENIX (1.7.3_928)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	78.794	18.934	1.360
High resolution limit [Å]	1.294	4.090	1.290
Rmerge		0.028	0.266
Total number of observations		65746	127989
Number of reflections	327958
<I/σ(I)>	14.2	23.2	2.3
Completeness [%]	95.5	98.5	94.3
Redundancy	3.8	6.1	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	291	potassium phosphate, ammonium sulfate, sodium sulfate, pH 7.5, VAPOR DIFFUSION, temperature 291K